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Compile Data Set for Download or QSAR

Found 346 hits Enz. Inhib. hit(s) with Target = 'Cell division cycle 7-related protein kinase/Protein DBF4 homolog A'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50365698
PNG
(CHEMBL1958411)
Show SMILES CN(C1CCCCC1)c1nc(cc(=O)[nH]1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C18H21N5O/c1-23(12-6-3-2-4-7-12)18-21-15(10-16(24)22-18)14-11-20-17-13(14)8-5-9-19-17/h5,8-12H,2-4,6-7H2,1H3,(H,19,20)(H,21,22,24)
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0.0900n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...


Bioorg Med Chem Lett 22: 1940-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.041
BindingDB Entry DOI: 10.7270/Q2DR2W0F
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50365703
PNG
(CHEMBL1958417)
Show SMILES CN1CCC(CC1)Nc1nc(cc(=O)[nH]1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C17H20N6O/c1-23-7-4-11(5-8-23)20-17-21-14(9-15(24)22-17)13-10-19-16-12(13)3-2-6-18-16/h2-3,6,9-11H,4-5,7-8H2,1H3,(H,18,19)(H2,20,21,22,24)
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0.110n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...


Bioorg Med Chem Lett 22: 1940-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.041
BindingDB Entry DOI: 10.7270/Q2DR2W0F
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50365699
PNG
(CHEMBL1958412)
Show SMILES O=c1cc(nc(Nc2ccccc2)[nH]1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C17H13N5O/c23-15-9-14(13-10-19-16-12(13)7-4-8-18-16)21-17(22-15)20-11-5-2-1-3-6-11/h1-10H,(H,18,19)(H2,20,21,22,23)
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0.120n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...


Bioorg Med Chem Lett 22: 1940-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.041
BindingDB Entry DOI: 10.7270/Q2DR2W0F
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50365702
PNG
(CHEMBL1958416)
Show SMILES O=c1cc(nc(NC2CCOCC2)[nH]1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C16H17N5O2/c22-14-8-13(12-9-18-15-11(12)2-1-5-17-15)20-16(21-14)19-10-3-6-23-7-4-10/h1-2,5,8-10H,3-4,6-7H2,(H,17,18)(H2,19,20,21,22)
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0.140n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...


Bioorg Med Chem Lett 22: 1940-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.041
BindingDB Entry DOI: 10.7270/Q2DR2W0F
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50365701
PNG
(CHEMBL1958415)
Show SMILES O=c1cc(nc([nH]1)N1CCOCC1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C15H15N5O2/c21-13-8-12(11-9-17-14-10(11)2-1-3-16-14)18-15(19-13)20-4-6-22-7-5-20/h1-3,8-9H,4-7H2,(H,16,17)(H,18,19,21)
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0.180n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...


Bioorg Med Chem Lett 22: 1940-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.041
BindingDB Entry DOI: 10.7270/Q2DR2W0F
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50365700
PNG
(CHEMBL1958414)
Show SMILES COCCN(CCOC)c1nc(cc(=O)[nH]1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C17H21N5O3/c1-24-8-6-22(7-9-25-2)17-20-14(10-15(23)21-17)13-11-19-16-12(13)4-3-5-18-16/h3-5,10-11H,6-9H2,1-2H3,(H,18,19)(H,20,21,23)
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0.180n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...


Bioorg Med Chem Lett 22: 1940-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.041
BindingDB Entry DOI: 10.7270/Q2DR2W0F
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50365706
PNG
(CHEMBL1958420)
Show SMILES COC1CCN(CC1)c1nc(cc(=O)[nH]1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C17H19N5O2/c1-24-11-4-7-22(8-5-11)17-20-14(9-15(23)21-17)13-10-19-16-12(13)3-2-6-18-16/h2-3,6,9-11H,4-5,7-8H2,1H3,(H,18,19)(H,20,21,23)
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0.200n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...


Bioorg Med Chem Lett 22: 1940-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.041
BindingDB Entry DOI: 10.7270/Q2DR2W0F
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50365705
PNG
(CHEMBL1958419)
Show SMILES OC1CCN(CC1)c1nc(cc(=O)[nH]1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C16H17N5O2/c22-10-3-6-21(7-4-10)16-19-13(8-14(23)20-16)12-9-18-15-11(12)2-1-5-17-15/h1-2,5,8-10,22H,3-4,6-7H2,(H,17,18)(H,19,20,23)
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0.200n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...


Bioorg Med Chem Lett 22: 1940-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.041
BindingDB Entry DOI: 10.7270/Q2DR2W0F
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50365704
PNG
(CHEMBL1958418)
Show SMILES O=c1cc(nc([nH]1)-c1ccccc1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C17H12N4O/c22-15-9-14(13-10-19-17-12(13)7-4-8-18-17)20-16(21-15)11-5-2-1-3-6-11/h1-10H,(H,18,19)(H,20,21,22)
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0.25n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...


Bioorg Med Chem Lett 22: 1940-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.041
BindingDB Entry DOI: 10.7270/Q2DR2W0F
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50365693
PNG
(CHEMBL1958406)
Show SMILES O=c1nc(nc(NC2CCCCC2)[nH]1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C16H18N6O/c23-16-21-14(12-9-18-13-11(12)7-4-8-17-13)20-15(22-16)19-10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,17,18)(H2,19,20,21,22,23)
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0.300n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...


Bioorg Med Chem Lett 22: 1940-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.041
BindingDB Entry DOI: 10.7270/Q2DR2W0F
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50365695
PNG
(CHEMBL1958408)
Show SMILES O=c1cc(cc(NC2CCCCC2)[nH]1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C18H20N4O/c23-17-10-12(15-11-20-18-14(15)7-4-8-19-18)9-16(22-17)21-13-5-2-1-3-6-13/h4,7-11,13H,1-3,5-6H2,(H,19,20)(H2,21,22,23)
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0.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...


Bioorg Med Chem Lett 22: 1940-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.041
BindingDB Entry DOI: 10.7270/Q2DR2W0F
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50365692
PNG
(CHEMBL1958404)
Show SMILES O=c1cc(nc(NC2CCCCC2)[nH]1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C17H19N5O/c23-16-9-15(11-6-7-14-12(8-11)10-18-22-14)20-17(21-16)19-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H,18,22)(H2,19,20,21,23)
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0.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...


Bioorg Med Chem Lett 22: 1940-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.041
BindingDB Entry DOI: 10.7270/Q2DR2W0F
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50365696
PNG
(CHEMBL1958409)
Show SMILES O=c1cc(NC2CCCCC2)cc([nH]1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C18H20N4O/c23-17-10-13(21-12-5-2-1-3-6-12)9-16(22-17)15-11-20-18-14(15)7-4-8-19-18/h4,7-12H,1-3,5-6H2,(H,19,20)(H2,21,22,23)
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1.10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...


Bioorg Med Chem Lett 22: 1940-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.041
BindingDB Entry DOI: 10.7270/Q2DR2W0F
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50365694
PNG
(CHEMBL1958407)
Show SMILES O=c1nc(cc(NC2CCCCC2)[nH]1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C17H19N5O/c23-17-21-14(13-10-19-16-12(13)7-4-8-18-16)9-15(22-17)20-11-5-2-1-3-6-11/h4,7-11H,1-3,5-6H2,(H,18,19)(H2,20,21,22,23)
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1.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...


Bioorg Med Chem Lett 22: 1940-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.041
BindingDB Entry DOI: 10.7270/Q2DR2W0F
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50365689
PNG
(CHEMBL1958401)
Show SMILES O=c1cc(nc(NC2CCCCC2)[nH]1)-c1ccncc1
Show InChI InChI=1S/C15H18N4O/c20-14-10-13(11-6-8-16-9-7-11)18-15(19-14)17-12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H2,17,18,19,20)
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2n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...


Bioorg Med Chem Lett 22: 1940-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.041
BindingDB Entry DOI: 10.7270/Q2DR2W0F
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50365690
PNG
(CHEMBL1958402)
Show SMILES Nc1nccc(n1)-c1cc(=O)[nH]c(NC2CCCCC2)n1
Show InChI InChI=1S/C14H18N6O/c15-13-16-7-6-10(18-13)11-8-12(21)20-14(19-11)17-9-4-2-1-3-5-9/h6-9H,1-5H2,(H2,15,16,18)(H2,17,19,20,21)
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5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...


Bioorg Med Chem Lett 22: 1940-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.041
BindingDB Entry DOI: 10.7270/Q2DR2W0F
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50365697
PNG
(CHEMBL1958410)
Show SMILES Oc1cc(NC2CCCCC2)nc(c1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C18H20N4O/c23-13-9-16(15-11-20-18-14(15)7-4-8-19-18)22-17(10-13)21-12-5-2-1-3-6-12/h4,7-12H,1-3,5-6H2,(H,19,20)(H2,21,22,23)
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5.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...


Bioorg Med Chem Lett 22: 1940-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.041
BindingDB Entry DOI: 10.7270/Q2DR2W0F
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50365691
PNG
(CHEMBL1958403)
Show SMILES O=c1cc(nc(NC2CCCCC2)[nH]1)-c1cn[nH]c1
Show InChI InChI=1S/C13H17N5O/c19-12-6-11(9-7-14-15-8-9)17-13(18-12)16-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,14,15)(H2,16,17,18,19)
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15n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...


Bioorg Med Chem Lett 22: 1940-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.041
BindingDB Entry DOI: 10.7270/Q2DR2W0F
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50365687
PNG
(CHEMBL1958399)
Show SMILES O=c1cc(nc(NC2CCCCC2)[nH]1)-c1ccccc1
Show InChI InChI=1S/C16H19N3O/c20-15-11-14(12-7-3-1-4-8-12)18-16(19-15)17-13-9-5-2-6-10-13/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H2,17,18,19,20)
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230n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...


Bioorg Med Chem Lett 22: 1940-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.041
BindingDB Entry DOI: 10.7270/Q2DR2W0F
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50365707
PNG
(CHEMBL1958421)
Show SMILES O=c1cc(nc(NC(c2ccccc2)c2ccccc2)[nH]1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C24H19N5O/c30-21-14-20(19-15-26-23-18(19)12-7-13-25-23)27-24(28-21)29-22(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-15,22H,(H,25,26)(H2,27,28,29,30)
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328n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...


Bioorg Med Chem Lett 22: 1940-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.041
BindingDB Entry DOI: 10.7270/Q2DR2W0F
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50365688
PNG
(CHEMBL1958400)
Show SMILES O=c1cc(nc(NC2CCCCC2)[nH]1)-c1cccnc1
Show InChI InChI=1S/C15H18N4O/c20-14-9-13(11-5-4-8-16-10-11)18-15(19-14)17-12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7H2,(H2,17,18,19,20)
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>1.20E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...


Bioorg Med Chem Lett 22: 1940-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.041
BindingDB Entry DOI: 10.7270/Q2DR2W0F
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50506348
PNG
(CHEMBL4436649)
Show SMILES Cl.Cl.Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)C12CC(C1)CN2 |(44.2,-7.72,;43.11,-5.71,;31.25,-8.66,;30.77,-7.21,;29.3,-6.74,;29.3,-5.2,;30.76,-4.72,;31.68,-5.96,;33.22,-5.94,;34.12,-7.19,;35.58,-6.69,;36.92,-7.46,;38.25,-6.69,;38.25,-5.15,;36.92,-4.38,;36.92,-2.84,;35.58,-5.15,;34.11,-4.69,;39.57,-7.47,;40.98,-6.84,;42,-7.99,;40.57,-8.32,;41.24,-9.32,;39.73,-9,)|
Show InChI InChI=1S/C15H15N5OS/c1-7-9(6-17-20-7)11-2-10-12(22-11)13(21)19-14(18-10)15-3-8(4-15)5-16-15/h2,6,8,16H,3-5H2,1H3,(H,17,20)(H,18,19,21)
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n/an/a 0.160n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...


J Med Chem 63: 1084-1104 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01427
BindingDB Entry DOI: 10.7270/Q29G5R3K
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50506358
PNG
(CHEMBL4462898)
Show SMILES Cl.Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)C12CCC(CC1)N2
Show InChI InChI=1S/C16H17N5OS/c1-8-10(7-17-21-8)12-6-11-13(23-12)14(22)19-15(18-11)16-4-2-9(20-16)3-5-16/h6-7,9,20H,2-5H2,1H3,(H,17,21)(H,18,19,22)
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n/an/a 0.160n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...


J Med Chem 63: 1084-1104 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01427
BindingDB Entry DOI: 10.7270/Q29G5R3K
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50506350
PNG
(Simurosertib | Tak 931 | Tak-931)
Show SMILES Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CC2CCN1CC2 |wD:16.18,(23.9,-5.5,;23.5,-6.99,;22.05,-7.46,;22.05,-9,;23.5,-9.47,;24.42,-8.23,;25.96,-8.23,;26.79,-6.94,;28.26,-7.33,;29.55,-6.49,;30.92,-7.17,;31.02,-8.7,;29.74,-9.56,;29.74,-11.1,;28.36,-8.87,;26.92,-9.42,;32.26,-6.4,;32.26,-4.86,;33.59,-4.09,;34.93,-4.86,;34.93,-6.4,;33.59,-7.17,;33.99,-5.69,;33.19,-5.58,)|
Show InChI InChI=1S/C17H19N5OS/c1-9-11(8-18-21-9)14-7-12-15(24-14)17(23)20-16(19-12)13-6-10-2-4-22(13)5-3-10/h7-8,10,13H,2-6H2,1H3,(H,18,21)(H,19,20,23)/t13-/m0/s1
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n/an/a 0.260n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...


J Med Chem 63: 1084-1104 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01427
BindingDB Entry DOI: 10.7270/Q29G5R3K
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50506351
PNG
(CHEMBL4439133)
Show SMILES Cl.Cl.Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CCCCN1 |r|
Show InChI InChI=1S/C15H17N5OS.2ClH/c1-8-9(7-17-20-8)12-6-11-13(22-12)15(21)19-14(18-11)10-4-2-3-5-16-10;;/h6-7,10,16H,2-5H2,1H3,(H,17,20)(H,18,19,21);2*1H/t10-;;/m0../s1
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n/an/a 0.410n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...


J Med Chem 63: 1084-1104 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01427
BindingDB Entry DOI: 10.7270/Q29G5R3K
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50506359
PNG
(CHEMBL4570191)
Show SMILES Cl.FC(F)(F)c1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CCCCN1 |r|
Show InChI InChI=1S/C15H14F3N5OS.ClH/c16-15(17,18)12-7(6-20-23-12)10-5-9-11(25-10)14(24)22-13(21-9)8-3-1-2-4-19-8;/h5-6,8,19H,1-4H2,(H,20,23)(H,21,22,24);1H/t8-;/m0./s1
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n/an/a 0.430n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...


J Med Chem 63: 1084-1104 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01427
BindingDB Entry DOI: 10.7270/Q29G5R3K
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50506351
PNG
(CHEMBL4439133)
Show SMILES Cl.Cl.Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CCCCN1 |r|
Show InChI InChI=1S/C15H17N5OS.2ClH/c1-8-9(7-17-20-8)12-6-11-13(22-12)15(21)19-14(18-11)10-4-2-3-5-16-10;;/h6-7,10,16H,2-5H2,1H3,(H,17,20)(H,18,19,21);2*1H/t10-;;/m0../s1
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n/an/a 0.440n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...


J Med Chem 63: 1084-1104 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01427
BindingDB Entry DOI: 10.7270/Q29G5R3K
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50506353
PNG
(CHEMBL4543158)
Show SMILES Cl.Cl.Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CC=CCN1 |r,c:21|
Show InChI InChI=1S/C15H15N5OS.2ClH/c1-8-9(7-17-20-8)12-6-11-13(22-12)15(21)19-14(18-11)10-4-2-3-5-16-10;;/h2-3,6-7,10,16H,4-5H2,1H3,(H,17,20)(H,18,19,21);2*1H/t10-;;/m0../s1
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n/an/a 0.530n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...


J Med Chem 63: 1084-1104 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01427
BindingDB Entry DOI: 10.7270/Q29G5R3K
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50506350
PNG
(Simurosertib | Tak 931 | Tak-931)
Show SMILES Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CC2CCN1CC2 |wD:16.18,(23.9,-5.5,;23.5,-6.99,;22.05,-7.46,;22.05,-9,;23.5,-9.47,;24.42,-8.23,;25.96,-8.23,;26.79,-6.94,;28.26,-7.33,;29.55,-6.49,;30.92,-7.17,;31.02,-8.7,;29.74,-9.56,;29.74,-11.1,;28.36,-8.87,;26.92,-9.42,;32.26,-6.4,;32.26,-4.86,;33.59,-4.09,;34.93,-4.86,;34.93,-6.4,;33.59,-7.17,;33.99,-5.69,;33.19,-5.58,)|
Show InChI InChI=1S/C17H19N5OS/c1-9-11(8-18-21-9)14-7-12-15(24-14)17(23)20-16(19-12)13-6-10-2-4-22(13)5-3-10/h7-8,10,13H,2-6H2,1H3,(H,18,21)(H,19,20,23)/t13-/m0/s1
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n/an/a 0.540n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...


J Med Chem 63: 1084-1104 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01427
BindingDB Entry DOI: 10.7270/Q29G5R3K
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50237672
PNG
(CHEMBL4089159)
Show SMILES COC(=O)C1=C(Nc2ccccc2Cl)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:4|
Show InChI InChI=1S/C20H14ClN3O4/c1-27-20(26)16-17(25)15(9-11-10-23-18-12(11)5-4-8-22-18)28-19(16)24-14-7-3-2-6-13(14)21/h2-10,24H,1H3,(H,22,23)/b15-9-
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n/an/a 0.600n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cdc7 (1 to 574 residues)/human N-terminal GST-tagged ASK (1 to 674 residues) expressed in baculovirus expression syst...


Eur J Med Chem 130: 406-418 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.030
BindingDB Entry DOI: 10.7270/Q2X63Q71
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50506356
PNG
(CHEMBL4569914)
Show SMILES Cl.Cl.C[C@H]1CCN[C@@H]1c1nc2cc(sc2c(=O)[nH]1)-c1c[nH]nc1C |r|
Show InChI InChI=1S/C15H17N5OS.2ClH/c1-7-3-4-16-12(7)14-18-10-5-11(9-6-17-20-8(9)2)22-13(10)15(21)19-14;;/h5-7,12,16H,3-4H2,1-2H3,(H,17,20)(H,18,19,21);2*1H/t7-,12-;;/m0../s1
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n/an/a 0.610n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...


J Med Chem 63: 1084-1104 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01427
BindingDB Entry DOI: 10.7270/Q29G5R3K
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50443648
PNG
(CHEMBL3093076)
Show SMILES Fc1ncccc1[C@H](Nc1nnc(o1)-c1c[nH]c2ncccc12)C1CC1 |r|
Show InChI InChI=1S/C18H15FN6O/c19-15-12(4-2-7-20-15)14(10-5-6-10)23-18-25-24-17(26-18)13-9-22-16-11(13)3-1-8-21-16/h1-4,7-10,14H,5-6H2,(H,21,22)(H,23,25)/t14-/m1/s1
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n/an/a 0.690n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cdc7/Dbf4 (unknown origin)-mediated MCM2 phosphorylation at Ser53 by protein A amplified luminescent proximity homogeneous assay


Bioorg Med Chem Lett 23: 6396-400 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.055
BindingDB Entry DOI: 10.7270/Q2P84DC0
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50253706
PNG
(CHEMBL4083927)
Show SMILES Cc1n[nH]cc1-c1cc2nc(CN3CCCC3)[nH]c(=O)c2s1
Show InChI InChI=1S/C15H17N5OS/c1-9-10(7-16-19-9)12-6-11-14(22-12)15(21)18-13(17-11)8-20-4-2-3-5-20/h6-7H,2-5,8H2,1H3,(H,16,19)(H,17,18,21)
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n/an/a 0.700n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...


J Med Chem 63: 1084-1104 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01427
BindingDB Entry DOI: 10.7270/Q29G5R3K
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50253706
PNG
(CHEMBL4083927)
Show SMILES Cc1n[nH]cc1-c1cc2nc(CN3CCCC3)[nH]c(=O)c2s1
Show InChI InChI=1S/C15H17N5OS/c1-9-10(7-16-19-9)12-6-11-14(22-12)15(21)18-13(17-11)8-20-4-2-3-5-20/h6-7H,2-5,8H2,1H3,(H,16,19)(H,17,18,21)
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n/an/a 0.700n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length Cdc7 (1 to 574 residues)/human N-terminal GST-tagged ASK (1 to 674 residues) expressed in baculovirus exp...


Bioorg Med Chem 25: 3658-3670 (2017)


Article DOI: 10.1016/j.bmc.2017.04.044
BindingDB Entry DOI: 10.7270/Q26H4KTZ
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50506362
PNG
(CHEMBL4440266)
Show SMILES Cl.Cl.Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C14H15N5OS.2ClH/c1-7-8(6-16-19-7)11-5-10-12(21-11)14(20)18-13(17-10)9-3-2-4-15-9;;/h5-6,9,15H,2-4H2,1H3,(H,16,19)(H,17,18,20);2*1H/t9-;;/m0../s1
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n/an/a 0.710n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...


J Med Chem 63: 1084-1104 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01427
BindingDB Entry DOI: 10.7270/Q29G5R3K
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50506359
PNG
(CHEMBL4570191)
Show SMILES Cl.FC(F)(F)c1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CCCCN1 |r|
Show InChI InChI=1S/C15H14F3N5OS.ClH/c16-15(17,18)12-7(6-20-23-12)10-5-9-11(25-10)14(24)22-13(21-9)8-3-1-2-4-19-8;/h5-6,8,19H,1-4H2,(H,20,23)(H,21,22,24);1H/t8-;/m0./s1
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n/an/a 0.720n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...


J Med Chem 63: 1084-1104 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01427
BindingDB Entry DOI: 10.7270/Q29G5R3K
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50443649
PNG
(CHEMBL3093075)
Show SMILES Fc1ccccc1[C@H](Nc1nnc(o1)-c1c[nH]c2ncccc12)C1CC1 |r|
Show InChI InChI=1S/C19H16FN5O/c20-15-6-2-1-4-13(15)16(11-7-8-11)23-19-25-24-18(26-19)14-10-22-17-12(14)5-3-9-21-17/h1-6,9-11,16H,7-8H2,(H,21,22)(H,23,25)/t16-/m1/s1
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n/an/a 0.850n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cdc7/Dbf4 (unknown origin)-mediated MCM2 phosphorylation at Ser53 by protein A amplified luminescent proximity homogeneous assay


Bioorg Med Chem Lett 23: 6396-400 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.055
BindingDB Entry DOI: 10.7270/Q2P84DC0
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50506347
PNG
(CHEMBL4587191)
Show SMILES Cl.Cl.Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@H]1CCCCN1 |r|
Show InChI InChI=1S/C15H17N5OS.2ClH/c1-8-9(7-17-20-8)12-6-11-13(22-12)15(21)19-14(18-11)10-4-2-3-5-16-10;;/h6-7,10,16H,2-5H2,1H3,(H,17,20)(H,18,19,21);2*1H/t10-;;/m1../s1
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n/an/a 0.910n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...


J Med Chem 63: 1084-1104 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01427
BindingDB Entry DOI: 10.7270/Q29G5R3K
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50443650
PNG
(CHEMBL3093074)
Show SMILES C1CC1[C@@H](Nc1nnc(o1)-c1c[nH]c2ncccc12)c1ccccc1 |r|
Show InChI InChI=1S/C19H17N5O/c1-2-5-12(6-3-1)16(13-8-9-13)22-19-24-23-18(25-19)15-11-21-17-14(15)7-4-10-20-17/h1-7,10-11,13,16H,8-9H2,(H,20,21)(H,22,24)/t16-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cdc7/Dbf4 (unknown origin)-mediated MCM2 phosphorylation at Ser53 by protein A amplified luminescent proximity homogeneous assay


Bioorg Med Chem Lett 23: 6396-400 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.055
BindingDB Entry DOI: 10.7270/Q2P84DC0
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50380229
PNG
(CHEMBL2016996)
Show SMILES O=C1NCC2(CCCCC2)c2sc(cc12)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C17H17N5OS/c23-16-10-6-11(12-13-15(21-8-19-12)22-9-20-13)24-14(10)17(7-18-16)4-2-1-3-5-17/h6,8-9H,1-5,7H2,(H,18,23)(H,19,20,21,22)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of CDC7/DBF4 using MCM-2 as substrate after 1 hr


ACS Med Chem Lett 2: 720-723 (2011)


Article DOI: 10.1021/ml200029w
BindingDB Entry DOI: 10.7270/Q2SQ91CR
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50380236
PNG
(CHEMBL2016856)
Show SMILES O=C1CCC2(CCCCC2)c2sc(cc12)-c1cn[nH]c1
Show InChI InChI=1S/C16H18N2OS/c19-13-4-7-16(5-2-1-3-6-16)15-12(13)8-14(20-15)11-9-17-18-10-11/h8-10H,1-7H2,(H,17,18)
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CDC7/DBF4 using MCM-2 as substrate after 1 hr


ACS Med Chem Lett 2: 720-723 (2011)


Article DOI: 10.1021/ml200029w
BindingDB Entry DOI: 10.7270/Q2SQ91CR
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50380230
PNG
(CHEMBL2016862)
Show SMILES O=C1NCC2(CCCCC2)c2sc(cc12)-c1cn[nH]c1
Show InChI InChI=1S/C15H17N3OS/c19-14-11-6-12(10-7-17-18-8-10)20-13(11)15(9-16-14)4-2-1-3-5-15/h6-8H,1-5,9H2,(H,16,19)(H,17,18)
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CDC7/DBF4 using MCM-2 as substrate after 1 hr


ACS Med Chem Lett 2: 720-723 (2011)


Article DOI: 10.1021/ml200029w
BindingDB Entry DOI: 10.7270/Q2SQ91CR
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50506361
PNG
(CHEMBL4572218)
Show SMILES Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@H]1CC2CCN1CC2 |r,wU:16.18,(31.13,-24.46,;30.64,-23,;29.17,-22.53,;29.17,-20.98,;30.63,-20.5,;31.55,-21.74,;33.09,-21.72,;34,-22.97,;35.46,-22.48,;36.8,-23.25,;38.13,-22.48,;38.13,-20.94,;36.8,-20.16,;36.8,-18.62,;35.45,-20.94,;33.98,-20.47,;39.45,-23.25,;40.78,-22.49,;42.11,-23.26,;42.11,-24.8,;40.77,-25.56,;39.45,-24.79,;40.95,-24.54,;40.79,-23.43,)|
Show InChI InChI=1S/C17H19N5OS/c1-9-11(8-18-21-9)14-7-12-15(24-14)17(23)20-16(19-12)13-6-10-2-4-22(13)5-3-10/h7-8,10,13H,2-6H2,1H3,(H,18,21)(H,19,20,23)/t13-/m1/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...


J Med Chem 63: 1084-1104 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01427
BindingDB Entry DOI: 10.7270/Q29G5R3K
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50450841
PNG
(CHEMBL4214023)
Show SMILES CN1c2cc(sc2C(=O)NC1(C)CC(F)(F)F)-c1c[nH]nc1C
Show InChI InChI=1S/C14H15F3N4OS/c1-7-8(5-18-20-7)10-4-9-11(23-10)12(22)19-13(2,21(9)3)6-14(15,16)17/h4-5H,6H2,1-3H3,(H,18,20)(H,19,22)
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n/an/a 1n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cdc7 (1 to 574 residues)/human N-terminal GST-tagged DBF4 (1 to 674 residues) expressed in baculovirus expression sys...


Bioorg Med Chem 25: 2133-2147 (2017)


Article DOI: 10.1016/j.bmc.2017.02.021
BindingDB Entry DOI: 10.7270/Q29P3477
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50253676
PNG
(CHEMBL4087760)
Show SMILES Cc1n[nH]cc1-c1cc2nc(CN3CC[C@H](F)C3)[nH]c(=O)c2s1 |r|
Show InChI InChI=1S/C15H16FN5OS/c1-8-10(5-17-20-8)12-4-11-14(23-12)15(22)19-13(18-11)7-21-3-2-9(16)6-21/h4-5,9H,2-3,6-7H2,1H3,(H,17,20)(H,18,19,22)/t9-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length Cdc7 (1 to 574 residues)/human N-terminal GST-tagged ASK (1 to 674 residues) expressed in baculovirus exp...


Bioorg Med Chem 25: 3658-3670 (2017)


Article DOI: 10.1016/j.bmc.2017.04.044
BindingDB Entry DOI: 10.7270/Q26H4KTZ
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50443644
PNG
(CHEMBL3093080)
Show SMILES Fc1cnc2[nH]cc(-c3nnc(N[C@H](C4CC4)c4cccnc4F)o3)c2c1 |r|
Show InChI InChI=1S/C18H14F2N6O/c19-10-6-12-13(8-23-16(12)22-7-10)17-25-26-18(27-17)24-14(9-3-4-9)11-2-1-5-21-15(11)20/h1-2,5-9,14H,3-4H2,(H,22,23)(H,24,26)/t14-/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cdc7/Dbf4 (unknown origin)-mediated MCM2 phosphorylation at Ser53 by protein A amplified luminescent proximity homogeneous assay


Bioorg Med Chem Lett 23: 6396-400 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.055
BindingDB Entry DOI: 10.7270/Q2P84DC0
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50253759
PNG
(CHEMBL4078941)
Show SMILES Cl.Cl.C[C@H]1CCCN1Cc1nc2cc(sc2c(=O)[nH]1)-c1c[nH]nc1C |r|
Show InChI InChI=1S/C16H19N5OS.2ClH/c1-9-4-3-5-21(9)8-14-18-12-6-13(11-7-17-20-10(11)2)23-15(12)16(22)19-14;;/h6-7,9H,3-5,8H2,1-2H3,(H,17,20)(H,18,19,22);2*1H/t9-;;/m0../s1
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n/an/a 1.20n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length Cdc7 (1 to 574 residues)/human N-terminal GST-tagged ASK (1 to 674 residues) expressed in baculovirus exp...


Bioorg Med Chem 25: 3658-3670 (2017)


Article DOI: 10.1016/j.bmc.2017.04.044
BindingDB Entry DOI: 10.7270/Q26H4KTZ
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50506354
PNG
(CHEMBL4529213)
Show SMILES Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CCCCCN1 |r|
Show InChI InChI=1S/C16H19N5OS/c1-9-10(8-18-21-9)13-7-12-14(23-13)16(22)20-15(19-12)11-5-3-2-4-6-17-11/h7-8,11,17H,2-6H2,1H3,(H,18,21)(H,19,20,22)/t11-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...


J Med Chem 63: 1084-1104 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01427
BindingDB Entry DOI: 10.7270/Q29G5R3K
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50450842
PNG
(CHEMBL4213805)
Show SMILES Cc1n[nH]cc1-c1cc2N[C@]3(CC[C@](O)(CC3)c3ccc(F)cc3)NC(=O)c2s1 |r,wU:10.11,wD:13.18,(40.37,-51.96,;39.89,-50.5,;38.42,-50.02,;38.42,-48.48,;39.89,-48.01,;40.79,-49.25,;42.33,-49.24,;43.25,-50.5,;44.72,-50.02,;46.04,-50.78,;47.37,-50.02,;47.36,-51.56,;48.68,-52.33,;50.02,-51.57,;51.56,-51.57,;50.03,-50.03,;48.7,-49.25,;50.79,-52.9,;50.02,-54.23,;50.79,-55.57,;52.33,-55.57,;53.1,-56.89,;53.1,-54.22,;52.33,-52.9,;47.37,-48.48,;46.04,-47.7,;46.05,-46.16,;44.72,-48.47,;43.25,-48,)|
Show InChI InChI=1S/C21H21FN4O2S/c1-12-15(11-23-26-12)17-10-16-18(29-17)19(27)25-21(24-16)8-6-20(28,7-9-21)13-2-4-14(22)5-3-13/h2-5,10-11,24,28H,6-9H2,1H3,(H,23,26)(H,25,27)/t20-,21+
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Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cdc7 (1 to 574 residues)/human N-terminal GST-tagged DBF4 (1 to 674 residues) expressed in baculovirus expression sys...


Bioorg Med Chem 25: 2133-2147 (2017)


Article DOI: 10.1016/j.bmc.2017.02.021
BindingDB Entry DOI: 10.7270/Q29P3477
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50506360
PNG
(CHEMBL4462574)
Show SMILES Cl.Cl.C[C@@H]1CN[C@@H](C1)c1nc2cc(sc2c(=O)[nH]1)-c1c[nH]nc1C |r|
Show InChI InChI=1S/C15H17N5OS.2ClH/c1-7-3-11(16-5-7)14-18-10-4-12(9-6-17-20-8(9)2)22-13(10)15(21)19-14;;/h4,6-7,11,16H,3,5H2,1-2H3,(H,17,20)(H,18,19,21);2*1H/t7-,11-;;/m0../s1
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n/an/a 1.30n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...


J Med Chem 63: 1084-1104 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01427
BindingDB Entry DOI: 10.7270/Q29G5R3K
More data for this
Ligand-Target Pair
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